ChemSpider 2D Image | 2-Ethoxy-3-[4-(2-{4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}ethoxy)phenyl]propanoic acid | C25H28F3NO4

2-Ethoxy-3-[4-(2-{4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}ethoxy)phenyl]propanoic acid

  • Molecular FormulaC25H28F3NO4
  • Average mass463.489 Da
  • Monoisotopic mass463.197052 Da
  • ChemSpider ID24714809

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Ethoxy-3-[4-(2-{4-[2-(trifluormethyl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}ethoxy)phenyl]propansäure [German] [ACD/IUPAC Name]
2-Ethoxy-3-[4-(2-{4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-1(2H)-pyridinyl}ethoxy)phenyl]propanoic acid [ACD/IUPAC Name]
Acide 2-éthoxy-3-[4-(2-{4-[2-(trifluorométhyl)phényl]-3,6-dihydro-1(2H)-pyridinyl}éthoxy)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[2-[3,6-dihydro-4-[2-(trifluoromethyl)phenyl]-1(2H)-pyridinyl]ethoxy]-α-ethoxy- [ACD/Index Name]
2-ethoxy-3-(4-(2-(4-(2-(trifluoromethyl)phenyl)-5,6-dihydropyridin-1(2H)-yl)ethoxy)phenyl)propanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514544/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 590.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.8±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 117.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 16.72
ACD/KOC (pH 5.5): 51.27
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 9.51
ACD/KOC (pH 7.4): 29.17
Polar Surface Area: 59 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

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